SCHEMBL7734760

SCHEMBL7734760

COc1ccc(Cc2nc3cc(Cl)cc(C#CCO)c3o2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
STAT3 P40763 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA2 P00918 1/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7734840 0.89 PDE4A (0.40)
SCHEMBL7737540 0.85 MAPT (0.44) MAPTKMT2AMEN1SMN1; SMN2STAT3
SCHEMBL7735654 0.82 NPC1 (0.42) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7737473 0.82 MEN1 (0.39) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL7733971 0.81 MAPT (0.46) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL7734786 0.81 PDE4B (0.41)
SCHEMBL7724860 0.79 ALDH1A1 (0.47) MAPTKMT2AMEN1SMN1; SMN2STAT3
SCHEMBL7734102 0.78 TSHR (0.43) MAPTKMT2AMEN1SMN1; SMN2STAT3
SCHEMBL7737446 0.77 PGK1 (0.35) KMT2AMEN1ALDH1A1
SCHEMBL7679979 0.77 DHFR (0.34) MAPTKMT2AMEN1SMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed